REMARK Name = BDB049471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.354 0.197 -0.251 0.00 0.00 +0.273 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.024 1.476 -0.709 0.00 0.00 -0.007 A ATOM 3 C LIG 1 -1.643 2.334 0.214 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -2.261 3.512 -0.213 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -2.261 3.844 -1.564 0.00 0.00 +0.041 A ATOM 6 CL LIG 1 -3.021 5.295 -2.091 0.00 0.00 -0.084 Cl ATOM 7 C LIG 1 -1.646 3.009 -2.493 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -1.028 1.830 -2.068 0.00 0.00 +0.008 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 9 P LIG 1 -1.397 -1.008 0.626 0.00 0.00 +0.366 P ATOM 10 O LIG 1 -2.145 -0.477 1.817 0.00 0.00 -0.255 OA BRANCH 9 11 ATOM 11 O LIG 1 -0.414 -2.227 1.031 0.00 0.00 -0.309 OA ATOM 12 C LIG 1 -0.959 -3.237 1.858 0.00 0.00 +0.204 C ENDBRANCH 9 11 BRANCH 9 13 ATOM 13 O LIG 1 -2.367 -1.679 -0.480 0.00 0.00 -0.309 OA ATOM 14 C LIG 1 -1.813 -2.280 -1.633 0.00 0.00 +0.204 C ENDBRANCH 9 13 ENDBRANCH 1 9 BRANCH 1 15 ATOM 15 O LIG 1 0.700 0.549 0.643 0.00 0.00 -0.266 OA BRANCH 15 16 ATOM 16 P LIG 1 2.106 -0.191 0.411 0.00 0.00 +0.478 P ATOM 17 O LIG 1 2.039 -1.515 -0.281 0.00 0.00 -0.227 OA BRANCH 16 19 ATOM 18 C LIG 1 4.286 0.594 -0.709 0.00 0.00 +0.207 C ATOM 19 O LIG 1 2.951 0.923 -0.385 0.00 0.00 -0.290 OA ENDBRANCH 16 19 BRANCH 16 20 ATOM 20 O LIG 1 2.778 -0.195 1.872 0.00 0.00 -0.290 OA ATOM 21 C LIG 1 2.204 -1.056 2.833 0.00 0.00 +0.207 C ENDBRANCH 16 20 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 8